3B0U

tRNA-dihydrouridine synthase from Thermus thermophilus in complex with tRNA fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-02
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	H 3
Unit cell lengths	126.643, 126.643, 112.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.798 - 1.948
R-factor	0.1823
Rwork	0.181
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b0p
RMSD bond length	0.006
RMSD bond angle	0.683
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	PHENIX (dev_708)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.798	19.798	2.050
High resolution limit [Å]	1.948	6.160	1.950
Rmerge		0.025	0.528
Rmeas		0.028	0.582
Rpim		0.012	0.245
Total number of observations		8306	40009
Number of reflections	49091
<I/σ(I)>	18.4	54.1	3.5
Completeness [%]	99.7	95.8	98.6
Redundancy	5.7	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	HEPES, PEG 12000, pH 7.0, vapor diffusion, sitting drop, temperature 293K